Chemical Component Summary | |
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Name | BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE |
Identifiers | [[(2R,3S,4R,5R)-5-(4-aminocarbonyl-1,3-thiazol-2-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
Formula | C20 H27 N7 O13 P2 S |
Molecular Weight | 667.48 |
Type | NON-POLYMER |
Isomeric SMILES | c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N |
InChI | InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1 |
InChIKey | CRWWKLKZKYLFQV-HVIRUEHBSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 70 |
Chiral Atom Count | 10 |
Bond Count | 74 |
Aromatic Bond Count | 15 |
Related Resource References
Resource Name | Reference |
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PubChem | 128225 |